2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

C236H116N36 — CID 162083468

IUPAC2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4)ccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5[N+]#[C-])ccc43)c2C#N)c(C#N)c1.[C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5C#N)cc4n(-c4cc(-c5ccncc5)cc(-n5c6cc(-c7ccc(C#N)cc7[N+]#[C-])ccc6c6ccc(-c7ccc([N+]#[C-])cc7[N+]#[C-])cc65)c4C#N)c3c2)c(C#N)c1.[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccncc5)cc(-n5c6ccccc6c6ccc(-c7ccc(C#N)cc7[N+]#[C-])cc65)c4C#N)c3c2)c(C#N)c1
InChIInChI=1S/C68H30N12.C64H34N8.2C52H26N8/c1-74-50-11-19-53(49(27-50)38-72)44-8-16-57-56-15-7-43(52-13-5-40(35-69)25-48(52)37-71)28-63(56)79(64(57)29-44)67-32-47(42-21-23-78-24-22-42)33-68(60(67)39-73)80-65-30-45(54-14-6-41(36-70)26-61(54)76-3)9-17-58(65)59-18-10-46(31-66(59)80)55-20-12-51(75-2)34-62(55)77-4;1-68-52-19-11-44(12-20-52)49-17-25-61-56(33-49)57-34-50(45-13-21-53(69-2)22-14-45)18-26-62(57)72(61)64-36-51(46-27-29-70-30-28-46)35-63(58(64)39-67)71-59-23-15-47(42-7-3-40(37-65)4-8-42)31-54(59)55-32-48(16-24-60(55)71)43-9-5-41(38-66)6-10-43;1-56-38-14-16-39(37(24-38)30-54)34-12-17-49-43(25-34)41-7-3-5-9-47(41)59(49)51-27-36(33-19-21-58-22-20-33)28-52(45(51)31-55)60-48-10-6-4-8-42(48)44-26-35(13-18-50(44)60)40-15-11-32(29-53)23-46(40)57-2;1-56-38-14-18-39(37(24-38)30-54)34-12-16-43-41-7-3-5-9-47(41)59(49(43)25-34)51-27-36(33-19-21-58-22-20-33)28-52(45(51)31-55)60-48-10-6-4-8-42(48)44-17-13-35(26-50(44)60)40-15-11-32(29-53)23-46(40)57-2/h5-34H;3-36H;2*3-28H
InChIKeyZCQLYYOJNKFIPA-UHFFFAOYSA-N
MW3455.78 g/mol
LogP59.49
Rot. Bonds24

About 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (PubChem CID 162083468) has the molecular formula C236H116N36 and a molecular weight of 3455.78 g/mol. Its IUPAC name is 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
PubChem CID162083468
Molecular FormulaC236H116N36
Molecular Weight3455.78 g/mol
Exact Mass3453.02
IUPAC Name2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4)ccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5[N+]#[C-])ccc43)c2C#N)c(C#N)c1.[C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5C#N)cc4n(-c4cc(-c5ccncc5)cc(-n5c6cc(-c7ccc(C#N)cc7[N+]#[C-])ccc6c6ccc(-c7ccc([N+]#[C-])cc7[N+]#[C-])cc65)c4C#N)c3c2)c(C#N)c1.[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccncc5)cc(-n5c6ccccc6c6ccc(-c7ccc(C#N)cc7[N+]#[C-])cc65)c4C#N)c3c2)c(C#N)c1
InChIInChI=1S/C68H30N12.C64H34N8.2C52H26N8/c1-74-50-11-19-53(49(27-50)38-72)44-8-16-57-56-15-7-43(52-13-5-40(35-69)25-48(52)37-71)28-63(56)79(64(57)29-44)67-32-47(42-21-23-78-24-22-42)33-68(60(67)39-73)80-65-30-45(54-14-6-41(36-70)26-61(54)76-3)9-17-58(65)59-18-10-46(31-66(59)80)55-20-12-51(75-2)34-62(55)77-4;1-68-52-19-11-44(12-20-52)49-17-25-61-56(33-49)57-34-50(45-13-21-53(69-2)22-14-45)18-26-62(57)72(61)64-36-51(46-27-29-70-30-28-46)35-63(58(64)39-67)71-59-23-15-47(42-7-3-40(37-65)4-8-42)31-54(59)55-32-48(16-24-60(55)71)43-9-5-41(38-66)6-10-43;1-56-38-14-16-39(37(24-38)30-54)34-12-17-49-43(25-34)41-7-3-5-9-47(41)59(49)51-27-36(33-19-21-58-22-20-33)28-52(45(51)31-55)60-48-10-6-4-8-42(48)44-26-35(13-18-50(44)60)40-15-11-32(29-53)23-46(40)57-2;1-56-38-14-18-39(37(24-38)30-54)34-12-16-43-41-7-3-5-9-47(41)59(49(43)25-34)51-27-36(33-19-21-58-22-20-33)28-52(45(51)31-55)60-48-10-6-4-8-42(48)44-17-13-35(26-50(44)60)40-15-11-32(29-53)23-46(40)57-2/h5-34H;3-36H;2*3-28H
InChIKeyZCQLYYOJNKFIPA-UHFFFAOYSA-N
XLogP59.49
TPSA467.66 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003455.78
LogP ≤ 559.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile with MolForge

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Related Compounds

3-[3-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[9-[4-[5-cyano-2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-[5-cyano-2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]phenyl]-3-pyridinyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[3-[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 157163475
2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 159486712
2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 162228469
4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 162228472
2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134301953
4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile
CID 159711862
5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile
CID 161061923
4-[9-[4-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazol-3-yl]-3-isocyanobenzonitrile
CID 156679433
4-[9-[4-(3-cyanophenyl)-5-[3-(2,4-diisocyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 153486616
2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile
CID 157257853
4-[9-[2-cyano-5-(3-cyanophenyl)-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465875
4-[6-(2-cyano-4-isocyanophenyl)-9-[4-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(4-cyanophenyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile
CID 153432177

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (CID 162083468) is 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is [C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4)ccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5[N+]#[C-])ccc43)c2C#N)c(C#N)c1.[C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5C#N)cc4n(-c4cc(-c5ccncc5)cc(-n5c6cc(-c7ccc(C#N)cc7[N+]#[C-])ccc6c6ccc(-c7ccc([N+]#[C-])cc7[N+]#[C-])cc65)c4C#N)c3c2)c(C#N)c1.[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccncc5)cc(-n5c6ccccc6c6ccc(-c7ccc(C#N)cc7[N+]#[C-])cc65)c4C#N)c3c2)c(C#N)c1.
What is the InChIKey of 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The InChIKey is ZCQLYYOJNKFIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H30N12.C64H34N8.2C52H26N8/c1-74-50-11-19-53(49(27-50)38-72)44-8-16-57-56-15-7-43(52-13-5-40(35-69)25-48(52)37-71)28-63(56)79(64(57)29-44)67-32-47(42-21-23-78-24-22-42)33-68(60(67)39-73)80-65-30-45(54-14-6-41(36-70)26-61(54)76-3)9-17-58(65)59-18-10-46(31-66(59)80)55-20-12-51(75-2)34-62(55)77-4;1-68-52-19-11-44(12-20-52)49-17-25-61-56(33-49)57-34-50(45-13-21-53(69-2)22-14-45)18-26-62(57)72(61)64-36-51(46-27-29-70-30-28-46)35-63(58(64)39-67)71-59-23-15-47(42-7-3-40(37-65)4-8-42)31-54(59)55-32-48(16-24-60(55)71)43-9-5-41(38-66)6-10-43;1-56-38-14-16-39(37(24-38)30-54)34-12-17-49-43(25-34)41-7-3-5-9-47(41)59(49)51-27-36(33-19-21-58-22-20-33)28-52(45(51)31-55)60-48-10-6-4-8-42(48)44-26-35(13-18-50(44)60)40-15-11-32(29-53)23-46(40)57-2;1-56-38-14-18-39(37(24-38)30-54)34-12-16-43-41-7-3-5-9-47(41)59(49(43)25-34)51-27-36(33-19-21-58-22-20-33)28-52(45(51)31-55)60-48-10-6-4-8-42(48)44-17-13-35(26-50(44)60)40-15-11-32(29-53)23-46(40)57-2/h5-34H;3-36H;2*3-28H.
What are the key properties of 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile has a molecular weight of 3455.78 g/mol, XLogP of 59.49, 24 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 162083468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).